Geometry & MOs

Info

ID:	381173
PubChem CID:	134971824
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	556.27773
ΔH_f, kcal/mol:	-94.26
Dipole, Da:	4.61
IP(EA), eV:	-8.7(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5S,10S,13R)-3-iodo-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)OC)O)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations